(2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide

C24H30N4O4S — CID 92687840

IUPAC(2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)cc2C[C@@H]1C
InChIInChI=1S/C24H30N4O4S/c1-18-16-20-17-22(8-9-23(20)28(18)19(2)29)33(31,32)25-11-10-24(30)27-14-12-26(13-15-27)21-6-4-3-5-7-21/h3-9,17-18,25H,10-16H2,1-2H3/t18-/m0/s1
InChIKeyJOLQMFZIODJUMW-SFHVURJKSA-N
MW470.60 g/mol
LogP2.00
Rot. Bonds6

About (2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide

(2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 92687840) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is (2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID92687840
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name(2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)cc2C[C@@H]1C
InChIInChI=1S/C24H30N4O4S/c1-18-16-20-17-22(8-9-23(20)28(18)19(2)29)33(31,32)25-11-10-24(30)27-14-12-26(13-15-27)21-6-4-3-5-7-21/h3-9,17-18,25H,10-16H2,1-2H3/t18-/m0/s1
InChIKeyJOLQMFZIODJUMW-SFHVURJKSA-N
XLogP2.00
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-acetyl-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
CID 92504914
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-phenylethyl)propanamide
CID 92687862
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
3,4-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 3466822
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
1-[(2S)-2-methyl-5-[(2S)-2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 98471605
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92687907
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 92687837
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
(2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 93072300
4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 92863752
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-acetylphenyl)propanamide
CID 46274810

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide (CID 92687840) is (2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)cc2C[C@@H]1C.
What is the InChIKey of (2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is JOLQMFZIODJUMW-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-18-16-20-17-22(8-9-23(20)28(18)19(2)29)33(31,32)25-11-10-24(30)27-14-12-26(13-15-27)21-6-4-3-5-7-21/h3-9,17-18,25H,10-16H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
(2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 470.60 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-2-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 92687840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).